Table 3.
Drug-likeness properties of the ‘lead hit compounds’ determined using Swiss ADME server.
| Compounds | Lipinski violations | Ghose violations | Veber violations | Egan violations | Muegge violations | Bioavailability Score |
|---|---|---|---|---|---|---|
| Buddlenol-A | 2: MW > 500, NorO>10 | 3: MW > 480, MR > 130, #atoms>70 |
2: Rotors>10, TPSA>140 |
1: TPSA>131.6 |
2: TPSA>150, H-acc>10 |
0.17 |
| Citrusin-B | 3: MW > 500, NorO>10, NHorOH>5 |
4: MW > 480, WLOGP<-0.4, MR > 130, #atoms>70 |
2: Rotors>10, TPSA>140 | 1: TPSA>131.6 |
3; TPSA>150, H-acc>10, H-don>5 |
0.17 |
| 9-hydroxycanthin-6-one | 0 | 0 | 0 | 0 | 0 | 0.55 |
| Bruceolline-B | 3: MW > 500, NorO>10, NHorOH>5 |
3: MW > 480, WLOGP<-0.4, MR > 130 |
1: TPSA>140 |
1: TPSA>131.6 |
3: TPSA>150, H-acc>10, H-don>5 |
0.17 |
| Prosopine | 0 | 0 | 1: Rotors>10 |
0 | 0 | 0.55 |
| Fisetinidol | 0 | 0 | 0 | 0 | 0 | 0.55 |
| Picrasidine-X | 0 | 0 | 0 | 0 | 0 | 0.56 |